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1060801-62-8 molecular structure
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3-fluoro-5-methoxypyridine

ChemBase ID: 54400
Molecular Formular: C6H6FNO
Molecular Mass: 127.1163432
Monoisotopic Mass: 127.04334204
SMILES and InChIs

SMILES:
c1c(cc(cn1)OC)F
Canonical SMILES:
COc1cc(F)cnc1
InChI:
InChI=1S/C6H6FNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey:
LVRXPWCFOHZWOR-UHFFFAOYSA-N

Cite this record

CBID:54400 http://www.chembase.cn/molecule-54400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-5-methoxypyridine
IUPAC Traditional name
3-fluoro-5-methoxypyridine
Synonyms
3-Fluoro-5-methoxypyridine
CAS Number
1060801-62-8
MDL Number
MFCD13185606
PubChem SID
162059163
PubChem CID
46911835

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46911835 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.740363  LogD (pH = 7.4) 0.740601 
Log P 0.74060404  Molar Refractivity 30.5807 cm3
Polarizability 11.672486 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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